N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide

C23H26N4O7 — CID 135848314

IUPACN-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide
SMILESCCCCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N[N+](=O)[O-])n2)c(O)c1
InChIInChI=1S/C23H26N4O7/c1-5-6-9-34-15-7-8-16(19(28)12-15)18-13-17(24-23(25-18)26-27(29)30)14-10-20(31-2)22(33-4)21(11-14)32-3/h7-8,10-13,28H,5-6,9H2,1-4H3,(H,24,25,26)
InChIKeyRVTLQVSDQACBLH-UHFFFAOYSA-N
MW470.48 g/mol
LogP4.32
Rot. Bonds11

About N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide

N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide (PubChem CID 135848314) has the molecular formula C23H26N4O7 and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide.

Molecular Properties

Compound NameN-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide
PubChem CID135848314
Molecular FormulaC23H26N4O7
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC NameN-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide
SMILESCCCCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N[N+](=O)[O-])n2)c(O)c1
InChIInChI=1S/C23H26N4O7/c1-5-6-9-34-15-7-8-16(19(28)12-15)18-13-17(24-23(25-18)26-27(29)30)14-10-20(31-2)22(33-4)21(11-14)32-3/h7-8,10-13,28H,5-6,9H2,1-4H3,(H,24,25,26)
InChIKeyRVTLQVSDQACBLH-UHFFFAOYSA-N
XLogP4.32
TPSA138.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-(4-butoxy-2-hydroxy-5-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 135488028
4-butoxy-2-methoxyphenol
CID 53249740
5-dodecoxy-2-(6-phenyl-2-pyren-1-ylpyrimidin-4-yl)phenol
CID 164768697
5-butoxy-2-phenylphenol
CID 70451587
4-(4-butoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole
CID 59430339
2-butoxy-5-nitrophenol
CID 141158099
tris(4-hexadecoxyphenyl)-[(3,4,5-trimethoxy-2-nitrophenyl)methoxy]silane
CID 22342079
5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol
CID 136601674
3-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 121060832
3-butoxy-5-methoxy-4-nitrophenol
CID 71221076
1-[(3-butoxyphenyl)methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377940
2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol
CID 135597459

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide?
The IUPAC name of N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide (CID 135848314) is N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide.
What is the SMILES notation for N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide?
The canonical SMILES for N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide is CCCCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N[N+](=O)[O-])n2)c(O)c1.
What is the InChIKey of N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide?
The InChIKey is RVTLQVSDQACBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O7/c1-5-6-9-34-15-7-8-16(19(28)12-15)18-13-17(24-23(25-18)26-27(29)30)14-10-20(31-2)22(33-4)21(11-14)32-3/h7-8,10-13,28H,5-6,9H2,1-4H3,(H,24,25,26).
What are the key properties of N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide?
N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide has a molecular weight of 470.48 g/mol, XLogP of 4.32, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butoxy-2-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]nitramide is sourced from PubChem (CID 135848314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).